SCHEMBL13757116

SCHEMBL13757116

CCC1CNc2ccncc2N1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14421730 0.84 CREBBP (0.36) CREBBP
SCHEMBL15507913 0.78 CREBBP (0.54) BRD4CREBBP
SCHEMBL29004246 0.78 CREBBP (0.54) BRD4CREBBP
SCHEMBL29898373 0.78 CREBBP (0.54) BRD4CREBBP
SCHEMBL5805634 0.78 CREBBP (0.54) BRD4CREBBP
SCHEMBL2666096 0.70 CDC7 (0.38) ADORA3ADORA2AADORA1
SCHEMBL10081671 0.70 CDC7 (0.38) —
SCHEMBL5900111 0.69 BRD4 (0.34) BRD4CREBBP
SCHEMBL24317429 0.68 MTNR1A (0.38) —
SCHEMBL25059407 0.67 ADORA3 (0.35) ADORA3ADORA2AADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 — — US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 BRD4 2304/4885CREBBP 518/4885ADORA3 449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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